|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H17FO4/c1-21-16-10-13(11-17(22-2)18(16)23-3)15(20)9-6-12-4-7-14(19)8-5-12/h4-11H,1-3H3/b9-6+
|
|
chemicalCompound:standardIn... |
FVYXBSVIQZHXBW-RMKNXTFCSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(cc(OC)c1OC)C(=O)\C=C\c2ccc(F)cc2
|
|
chemicalCompound:molecularF... |
C18H17FO4
|
|
chemicalCompound:moleculeId |
91865
|
|
chemicalCompound:mwFreebase |
316.324
|
|
chemicalCompound:alogp |
3.858
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
44.76
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.119
|
|
chemicalCompound:acdLogD |
3.119
|
|
chemicalCompound:fullMwt |
316.324
|
|
chemicalCompound:chemblId |
CHEMBL61998
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:160076,
activity:1479825,
activity:1479826,
activity:1479827,
activity:1479828,
activity:1479829,
activity:1479830,
activity:1479831,
activity:1479832,
activity:1479833,
activity:1479834,
activity:1479835,
activity:1479836,
activity:2337823,
activity:2337845,
activity:2337867,
activity:2337889,
activity:2354074,
activity:3066155,
activity:3086197,
activity:3086204,
activity:3086207,
activity:3414325
|
